ArticleThe journal of physical chemistry. A2026
Nuclear Spin-Spin Coupling Density Functions: Through-Bond and Through-Space Interactions.
Article in The journal of physical chemistry. A, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
A new method based on the solution of time-independent standard response equation has been developed for the calculation of spin-spin coupling density functions, entirely in the atomic orbital basis at both HF and DFT (GGA and hybrid GGA) level of theory. The study is not limited to the Fermi contact alone, but also includes all four Ramsey terms, which have sometimes been shown to be non-negligible. The
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